SCHEMBL5845852

SCHEMBL5845852

CC(C)(c1ccccc1)c1ccc(OP(O)OCC(CO)(CO)COP(O)Oc2ccc(C(C)(C)c3ccccc3)cc2C(C)(C)c2ccccc2)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 7/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NR3C2 P08235 2/20 0.32
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2947054 0.89 KDM4E (0.30) KDM4EKMT2AMEN1LMNAPOLB
SCHEMBL5699628 0.87 ALDH1A1 (0.36) ESR1ESR2ALDH1A1CYP3A4KDM4E
SCHEMBL29286983 0.85 ALDH1A1 (0.44) ESR1ESR2ALDH1A1CYP3A4KDM4E
Pentachlorophenol SCHEMBL6837321 0.82 CNR1 (0.37) ESR1ESR2ALDH1A1CYP3A4KDM4E
SCHEMBL28780787 0.81 ALDH1A1 (0.37) ESR1ESR2ALDH1A1CYP3A4KDM4E
SCHEMBL3990308 0.81 TRPV1 (0.35) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL11244846 0.81 KDM4E (0.34) ESR1ESR2ALDH1A1CYP3A4KDM4E
SCHEMBL2240319 0.80 ALDH1A1 (0.40) ESR1ESR2ALDH1A1CYP3A4KDM4E
SCHEMBL28017375 0.80 KDM4E (0.36) ESR1ESR2ALDH1A1CYP3A4KDM4E
SCHEMBL29389008 0.79 ALDH1A1 (0.44) ESR1ESR2ALDH1A1CYP3A4KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138478-B2 Process for mixing polymer melts with additives BAYER AKTIENGESELLSCHAFT (DE) 2006-11-21 US disclosed
US-20050121817-A1 Process for mixing polymer melts with additives BAYER MATERIALSCIENCE AG (DE) 2005-06-09 US disclosed
US-20040225103-A1 Process for mixing polymer melts with additives COVESTRO DEUTSCHLAND AG (DE) 2004-11-11 US disclosed